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1-nitro-4-[3-(phenylsulfonyl)butylsulfanyl]benzene

1-nitro-4-[3-(phenylsulfonyl)butylsulfanyl]benzene

Systemtic Name:1-nitro-4-[3-(phenylsulfonyl)butylsulfanyl]benzene
Openeye Name:1-[3-(benzenesulfonyl)butylsulfanyl]-4-nitro-benzene
CAS Name:1-[3-(benzenesulfonyl)butylthio]-4-nitrobenzene
IUPAC Name:1-[3-(benzenesulfonyl)butylsulfanyl]-4-nitrobenzene
Traditional Name:1-(3-besylbutylthio)-4-nitro-benzene
Formula: C16H17NO4S2
MolecularWeight: 351.44048
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2


Isomeric SMILES

CC(CCSC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2


InChI

InChI=1S/C16H17NO4S2/c1-13(23(20,21)16-5-3-2-4-6-16)11-12-22-15-9-7-14(8-10-15)17(18)19/h2-10,13H,11-12H2,1H3


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